1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one

C19H17FN4O3 — CID 126790123

IUPAC1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(-c2nc(COc3cccc(F)c3)no2)c1
InChIInChI=1S/C19H17FN4O3/c20-14-5-2-7-16(11-14)26-12-17-22-18(27-23-17)13-4-1-6-15(10-13)24-9-3-8-21-19(24)25/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,25)
InChIKeyXYOFHYIMLHRTDH-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.37
Rot. Bonds5

About 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one

1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one (PubChem CID 126790123) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
PubChem CID126790123
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1cccc(-c2nc(COc3cccc(F)c3)no2)c1
InChIInChI=1S/C19H17FN4O3/c20-14-5-2-7-16(11-14)26-12-17-22-18(27-23-17)13-4-1-6-15(10-13)24-9-3-8-21-19(24)25/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,25)
InChIKeyXYOFHYIMLHRTDH-UHFFFAOYSA-N
XLogP3.37
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one with MolForge

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Related Compounds

1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
CID 126773739
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 136569592
1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 120893671
2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10643724
(3-fluorophenyl) 4-(2-oxo-1,3-diazinan-1-yl)benzenesulfonate
CID 53364108
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
1-[3-(3,4-diethoxyphenyl)phenyl]-1,3-diazinan-2-one
CID 154793714
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
1-[4-[5-[6-(4-phenoxyphenoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-diazinan-2-one
CID 166378743
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one (CID 126790123) is 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one is O=C1NCCCN1c1cccc(-c2nc(COc3cccc(F)c3)no2)c1.
What is the InChIKey of 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
The InChIKey is XYOFHYIMLHRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c20-14-5-2-7-16(11-14)26-12-17-22-18(27-23-17)13-4-1-6-15(10-13)24-9-3-8-21-19(24)25/h1-2,4-7,10-11H,3,8-9,12H2,(H,21,25).
What are the key properties of 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one?
1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one has a molecular weight of 368.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 126790123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).